| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-20 23:48:56 UTC |
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| Update Date | 2025-03-21 18:02:01 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00035952 |
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| Frequency | 98.7 |
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| Structure | |
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| Chemical Formula | C14H15NO5 |
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| Molecular Mass | 277.095 |
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| SMILES | O=C1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)O1 |
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| InChI Key | RBJORHHEGUDJDE-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativescarbonyl compoundscarboxylic acid esterscarboxylic acidsdicarboxylic acids and derivativesgamma butyrolactoneshydrocarbon derivativesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenylpropanoic acidssecondary carboxylic acid amidestetrahydrofurans |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidaromatic heteromonocyclic compound3-phenylpropanoic-acidlactoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundorganoheterocyclic compoundamphetamine or derivativesn-acyl-alpha amino acid or derivativesn-acyl-alpha-amino acidtetrahydrofurancarboxamide groupgamma butyrolactoneoxacyclesecondary carboxylic acid amidephenylalanine or derivativesorganic oxygen compoundcarboxylic acid esterdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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